SCHEMBL9685613

SCHEMBL9685613

O=C(O)c1cn(C2CC2)c2nc(N3CCNC(c4ccc(F)cc4)C3)c(F)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.68
KMT2A Q03164 1/20 0.52
CHRM2 P08172 1/20 0.51
DRD1 P21728 1/20 0.51
LMNA P02545 3/20 0.49
CYP2C9 P11712 2/20 0.49
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ABCC4 O15439 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
POLB P06746 1/20 0.47
PRKD3 O94806 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9686438 0.94 DPP4 (0.68) DPP4KMT2ACHRM2DRD1LMNA
SCHEMBL9685621 0.89 DPP4 (0.55) DPP4KMT2ACHRM2DRD1LMNA
SCHEMBL9786167 0.86 DPP4 (0.53) DPP4KMT2ACHRM2DRD1LMNA
SCHEMBL9687753 0.86 KDM4E (0.63) DPP4KMT2ACHRM2DRD1LMNA
SCHEMBL9687439 0.84 DPP4 (0.54) DPP4KMT2ACHRM2DRD1LMNA
SCHEMBL9686444 0.83 DPP4 (0.54) DPP4KMT2ACHRM2DRD1LMNA
SCHEMBL10887979 0.83 KDM4E (0.69) LMNACYP2C9KDM4EHSD17B10ALDH1A1
SCHEMBL311935 0.83 LMNA (0.68) DPP4KMT2ACHRM2DRD1LMNA
SCHEMBL9786140 0.80 DPP4 (0.53) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL8874625 0.80 DPP4 (0.56) DPP4KMT2ACHRM2DRD1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed